کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6619280 1424496 2018 30 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Modeling the solubility of CO2 in aqueous methyl diethanolamine solutions with an electrolyte model based on COSMO-RS
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Modeling the solubility of CO2 in aqueous methyl diethanolamine solutions with an electrolyte model based on COSMO-RS
چکیده انگلیسی
A new COSMO-RS based electrolyte model (COSMO-RS-ES) was applied to the prediction of the solubility of CO2 in aqueous MDEA solutions. For this purpose, the model was combined with the Soave-Redlich-Kwong equation of state to describe the gas phase non-ideality. First, it was shown that the model can successfully describe the phase equilibria in the CO2 + water, as well as in alkanolamine + water systems. Using a region specific interaction parameter for the amine, the accuracy of the model for the prediction of the phase equilibrium in alkanolamine + water systems was further improved. Additionally, a detailed investigation of different amine + water systems based on the calculation of the partial molar enthalpies and entropies provided valuable insights on the properties of the systems. The description of the ternary CO2 + MDEA + H2O system was successful after a readjustment of selected interaction energy equations of the model using few parameters. The model was then applied to the prediction of the species distribution as well as the prediction of the partial pressure of CO2 at low gas loading.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 461, 15 April 2018, Pages 39-50
نویسندگان
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